SCHEMBL2304288

SCHEMBL2304288

CC(C)(C)C(O)c1cccc(-c2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
CNR2 P34972 2/20 0.44
CNR1 P21554 1/20 0.44
ASIC3 Q9UHC3 1/20 0.43
TRPV3 Q8NET8 1/20 0.41
SCN9A Q15858 8/20 0.38
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
ADORA1 P30542 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
DUSP10 Q9Y6W6 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12786233 1.00 MEN1 (0.50) MEN1RAB9AKMT2ACNR2CNR1
SCHEMBL818155 0.87 CCR1 (0.38) CNR2CNR1SCN9AIRAK4
SCHEMBL13400154 0.87 CCR1 (0.38) CNR2CNR1SCN9AIRAK4
SCHEMBL6650361 0.87 ALDH1A1 (0.56) MEN1KMT2ASCN9AALDH1A1POLB
SCHEMBL6673866 0.82 ALDH1A1 (0.44) MEN1RAB9AKMT2ACNR2CNR1
SCHEMBL12137374 0.80 MEN1 (0.56) MEN1RAB9AKMT2ACNR2ASIC3
SCHEMBL5109868 0.80 MEN1 (0.60) MEN1RAB9AKMT2AASIC3TRPV3
SCHEMBL6648617 0.78 SCN9A (0.47) SCN9A
SCHEMBL2609332 0.76 KMT2A (0.60) MEN1RAB9AKMT2ACNR2CNR1
SCHEMBL22481106 0.75 ADRB1 (0.60) MEN1RAB9AKMT2ATRPV3SCN9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263564-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-27 US disclosed
EP-2350051-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-08-03 EP disclosed
WO-2010056549-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-05-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110263564-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT6 MEN1 4054/4885RAB9A 1265/4885KMT2A 1716/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.